N-butyl-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
Chemical Structure Depiction of
N-butyl-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
N-butyl-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
Compound characteristics
| Compound ID: | C785-2000 |
| Compound Name: | N-butyl-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCCCN(C)C(CN1C(c2cc3c(ccs3)n2C(CC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2125 |
| logD: | 2.2125 |
| logSw: | -2.6901 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.631 |
| InChI Key: | QLJZYPHCLVTFOM-UHFFFAOYSA-N |